SCHEMBL11547425

SCHEMBL11547425

COC(C)(C)CCCC(C)CCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18677555 0.89 ALDH1A1 (0.38) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL19812427 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL10264070 0.84 CYP3A4 (0.40) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL2757911 0.83 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL3274456 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL10716994 0.83 ALOX15 (0.36) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL10834300 0.83 LMNA (0.52) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL11548108 0.82 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL8167264 0.82 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1LMNAALOX15
SCHEMBL11197857 0.82 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1LMNAALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077414-B2 Fragrance compositions containing isomeric alkoxynonenols BEDOUKIAN RESEARCH, INC. (US) 2018-09-18 US disclosed
US-20180030374-A1 FRAGRANCE COMPOSITIONS CONTAINING ISOMERIC ALKOXYNONENOLS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 US disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed
US-4056573-A COUPLING, HYDROGENATION, SAPONIFICATION, ACID SCAVENGER, CUPROUS SALTN SCM CORPORATION (US) 1977-11-01 US disclosed
US-4002647-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1977-01-11 US disclosed
US-3978097-A INSECTICIDES, MITICIDES SANDOZ LTD. (CH) 1976-08-31 US disclosed
US-3970704-A Alkoxy substituted aliphatic di-olefinic halides ZOECON CORPORATION (US) 1976-07-20 US disclosed
US-3966780-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1976-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10077414-B2 Fragrance compositions containing isomeric alkoxynonenols DHCR24, FAAH2, OR51E2 ALDH1A1 131/4885CYP3A4 189/4885TDP1 4310/4885
US-20180030374-A1 FRAGRANCE COMPOSITIONS CONTAINING ISOMERIC ALKOXYNONENOLS DHCR24, FAAH2, OR51E2 ALDH1A1 131/4885CYP3A4 189/4885TDP1 4310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.